Multi-Scale Modeling and Simulation of Materials

Course content

Basics of computational materials science. Mathematical and physical basis of modeling. Methodology for developing models. Simulation of models as finite systems. Microscale methods: molecular dynamics and Monte Carlo. Mesoscale methods: kinetic Monte Carlo, Monte Carlo at the mesoscale, cellular automata, phase-field, dislocation dynamics and crystal plasticity. Macroscale finite element methods and integrated modeling and simulation at multiple-scales.